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4-(sec-Butyl­amino)-3-nitro­benzoic acid

Authors
Journal
Acta Crystallographica Section E Structure Reports Online
1600-5368
Publisher
International Union of Crystallography
Publication Date
Volume
65
Issue
7
Identifiers
DOI: 10.1107/s1600536809021655
Keywords
  • Organic Papers

Abstract

The asymmetric unit of title compound, C11H14N2O4, consists of two crystallographically independent mol­ecules (A and B). In each, intra­molecular N—H⋯O hydrogen bonds generate S(6) ring motifs. The mean plane of the nitro group forms dihedral angles of 4.5 (3) and 0.5 (3)° with the benzene ring in mol­ecules A and B, respectively. In mol­ecule A, there is disorder of the butyl­amino group which corresponds to an approximate 180° rotation about the N—C(H) bond, forming two sites with refined occupancies of 0.722 (6) and 0.278 (6). Mol­ecule B is similarly disordered but in addition there is further rotational disorder about the C(H)—C(H2) bond giving a ratio of occupancies for three components of 0.42:0.35:0.23. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link mol­ecules into centrosymmetric dimers generating R 2 2(8) ring motifs. The crystal structure is also stabilized by weak inter­molecular C—H⋯O inter­actions.

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